5-chloranyl-2-methoxy-3-(3-methylbutylsulfonyl)benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-3-(3-methylbutylsulfonyl)benzoic acid Openeye Name: 5-chloro-3-isopentylsulfonyl-2-methoxy-benzoic acid CAS Name: 5-chloro-2-methoxy-3-(3-methylbutylsulfonyl)benzoic acid IUPAC Name: 5-chloro-2-methoxy-3-(3-methylbutylsulfonyl)benzoic acid Traditional Name: 5-chloro-3-isoamylsulfonyl-2-methoxy-benzoic acid Formula: C13H17ClO5S MolecularWeight: 320.78908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)OC

Isomeric SMILES

CC(C)CCS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)OC

InChI

InChI=1S/C13H17ClO5S/c1-8(2)4-5-20(17,18)11-7-9(14)6-10(13(15)16)12(11)19-3/h6-8H,4-5H2,1-3H3,(H,15,16)